[(2-fluorophenyl)methyl](methyl){[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 602314
• Molecular Formular: C15H14FN5O
• Molecular Mass: 299.3029632
• Monoisotopic Mass: 299.11823831
• SMILES: c1(nc(on1)CN(Cc1c(F)cccc1)C)c1nnccc1
• Canonical SMILES: CN(Cc1ccccc1F)Cc1onc(n1)c1cccnn1
• InChI: InChI=1S/C15H14FN5O/c1-21(9-11-5-2-3-6-12(11)16)10-14-18-15(20-22-14)13-7-4-8-17-19-13/h2-8H,9-10H2,1H3
• InChIKey: OTDSDVTVZLZFLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](methyl){[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl](methyl){[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: (2-fluorobenzyl)methyl{[3-(3-pyridazinyl)-1,2,4-oxadiazol-5-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4778478
• LogD (pH = 7.4): 2.1187665
• Log P: 2.1378808
• Molar Refractivity: 92.1183 cm^3
• Polarizability: 30.270887 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.35
• LOG S: -2.38
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5